N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride

C13H22ClN5 — CID 126968269

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
SMILESCc1nn(C)cc1CNCc1ccnn1C(C)C.Cl
InChIInChI=1S/C13H21N5.ClH/c1-10(2)18-13(5-6-15-18)8-14-7-12-9-17(4)16-11(12)3;/h5-6,9-10,14H,7-8H2,1-4H3;1H
InChIKeyGCGLMEGNOCUTCG-UHFFFAOYSA-N
MW283.81 g/mol
LogP2.22
Rot. Bonds5

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride (PubChem CID 126968269) has the molecular formula C13H22ClN5 and a molecular weight of 283.81 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
PubChem CID126968269
Molecular FormulaC13H22ClN5
Molecular Weight283.81 g/mol
Exact Mass283.16
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
SMILESCc1nn(C)cc1CNCc1ccnn1C(C)C.Cl
InChIInChI=1S/C13H21N5.ClH/c1-10(2)18-13(5-6-15-18)8-14-7-12-9-17(4)16-11(12)3;/h5-6,9-10,14H,7-8H2,1-4H3;1H
InChIKeyGCGLMEGNOCUTCG-UHFFFAOYSA-N
XLogP2.22
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.81
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]methanamine
CID 122167258
1-(1-methylpyrrol-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965371
N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine
CID 124932333
1-[2-(2-methylpropyl)pyrazol-3-yl]-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126964707
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 114075506
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 106415660
3-methoxy-1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126968235
N-[(2-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine;hydrochloride
CID 126967489
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 126967664
N-(furan-2-ylmethyl)-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
CID 126967579
1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 122167328

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride (CID 126968269) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride is Cc1nn(C)cc1CNCc1ccnn1C(C)C.Cl.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride?
The InChIKey is GCGLMEGNOCUTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5.ClH/c1-10(2)18-13(5-6-15-18)8-14-7-12-9-17(4)16-11(12)3;/h5-6,9-10,14H,7-8H2,1-4H3;1H.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride has a molecular weight of 283.81 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 126968269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).